REMARK  Name = BDB046067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.724  -0.107   0.143  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.343  -0.765  -0.934  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        3.735  -0.678  -1.069  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        4.538   0.039  -0.178  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        5.877  -0.028  -0.668  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        7.047   0.675  -0.179  0.00  0.00    +0.272 A 
ATOM      7  N   LIG    1        6.861   1.551   0.874  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1        7.739   2.006   1.109  0.00  0.00    +0.190 HD
ATOM      9  N   LIG    1        6.093   1.176   2.012  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1        6.457   1.580   2.873  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1        4.715   1.301   2.001  0.00  0.00    +0.271 A 
ATOM     12  O   LIG    1        4.154   1.833   2.957  0.00  0.00    -0.266 OA
ATOM     13  O   LIG    1        8.148   0.600  -0.722  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        5.856  -0.840  -1.789  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1        3.926   0.663   0.923  0.00  0.00    +0.051 A 
ATOM     16  N   LIG    1        4.565  -1.224  -2.020  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1        4.256  -1.800  -2.792  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1        2.524   0.591   1.059  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1       -2.552  -0.276   0.649  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1       -1.803  -1.451   0.527  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.414  -1.395   0.364  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        0.262  -0.165   0.315  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -0.499   1.009   0.431  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -1.887   0.955   0.593  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -4.053  -0.326   0.820  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.724   0.106  -0.403  0.00  0.00    -0.310 NA
ATOM     27  H   LIG    1       -4.423  -0.483  -1.178  0.00  0.00    +0.122 HD
BRANCH  26  29
ATOM     28  C   LIG    1       -6.737   0.926  -1.462  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -6.184   0.106  -0.295  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1       -6.773  -1.306  -0.332  0.00  0.00    +0.023 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4